3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide

C26H29N3O2 — CID 175769101

IUPAC3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N(CC(C)C)c1cc(C(=O)NCc2cccnc2)ccc1-c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-4-25(30)29(18-19(2)3)24-15-22(12-13-23(24)21-10-6-5-7-11-21)26(31)28-17-20-9-8-14-27-16-20/h5-16,19H,4,17-18H2,1-3H3,(H,28,31)
InChIKeyLMSBWICEQSZHEJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.08
Rot. Bonds8

About 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide

3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 175769101) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID175769101
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N(CC(C)C)c1cc(C(=O)NCc2cccnc2)ccc1-c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-4-25(30)29(18-19(2)3)24-15-22(12-13-23(24)21-10-6-5-7-11-21)26(31)28-17-20-9-8-14-27-16-20/h5-16,19H,4,17-18H2,1-3H3,(H,28,31)
InChIKeyLMSBWICEQSZHEJ-UHFFFAOYSA-N
XLogP5.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide (CID 175769101) is 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide is CCC(=O)N(CC(C)C)c1cc(C(=O)NCc2cccnc2)ccc1-c1ccccc1.
What is the InChIKey of 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LMSBWICEQSZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-4-25(30)29(18-19(2)3)24-15-22(12-13-23(24)21-10-6-5-7-11-21)26(31)28-17-20-9-8-14-27-16-20/h5-16,19H,4,17-18H2,1-3H3,(H,28,31).
What are the key properties of 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide?
3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 175769101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).